Vitas-M small molecule compound
4-chloro-N-[(2E)-6-{[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-1,3-benzothiazol-2(3H)-ylidene]benzenesulfonamide
Catalog ID
STK627829
SMILES OCC1CCCN1C(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccc(cc1)Cl)/[nH]2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H18ClN3O4S2 MW 451.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O4S2/c20-13-4-6-15(7-5-13)29(26,27)22-19-21-16-8-3-12(10-17(16)28-19)18(25)23-9-1-2-14(23)11-24/h3-8,10,14,24H,1-2,9,11H2,(H,21,22)InChIKey
HOQHPBSYTVQTHD-UHFFFAOYSA-NSynonyms
4chloroN((2E)6((2(hydroxymethyl)pyrrolidin1yl)carbonyl)13benzothiazol2(3H)ylidene)benzenesulfonamide
4chloroN(6(2(hydroxymethyl)pyrrolidine1carbonyl)13benzothiazol2yl)benzenesulfonamide
C1CC(N(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)Cl)CO
InChI=1SC19H18ClN3O4S2c20134615(7513)29(2627)221921168312(1017(16)2819)18(25)2391214(23)1124h38101424H12911H2(H2122)
MFCD18159229
OCC1CCCN1C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccc(cc1)Cl)(nH)2
ZINC000013731113
ZINC000036579956
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